6-chloro-N,2-diethyl-5-methyl-N-(2-methylphenyl)pyrimidin-4-amine

C16H20ClN3 — CID 80973600

IUPAC6-chloro-N,2-diethyl-5-methyl-N-(2-methylphenyl)pyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(N(CC)c2ccccc2C)n1
InChIInChI=1S/C16H20ClN3/c1-5-14-18-15(17)12(4)16(19-14)20(6-2)13-10-8-7-9-11(13)3/h7-10H,5-6H2,1-4H3
InChIKeyBVNXWUJAOGIMRU-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.47
Rot. Bonds4

About 6-chloro-N,2-diethyl-5-methyl-N-(2-methylphenyl)pyrimidin-4-amine

6-chloro-N,2-diethyl-5-methyl-N-(2-methylphenyl)pyrimidin-4-amine (PubChem CID 80973600) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 6-chloro-N,2-diethyl-5-methyl-N-(2-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N,2-diethyl-5-methyl-N-(2-methylphenyl)pyrimidin-4-amine
PubChem CID80973600
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name6-chloro-N,2-diethyl-5-methyl-N-(2-methylphenyl)pyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(N(CC)c2ccccc2C)n1
InChIInChI=1S/C16H20ClN3/c1-5-14-18-15(17)12(4)16(19-14)20(6-2)13-10-8-7-9-11(13)3/h7-10H,5-6H2,1-4H3
InChIKeyBVNXWUJAOGIMRU-UHFFFAOYSA-N
XLogP4.47
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,2-diethyl-5-methyl-N-(2-methylphenyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N,2-diethyl-5-methyl-N-(2-methylphenyl)pyrimidin-4-amine (CID 80973600) is 6-chloro-N,2-diethyl-5-methyl-N-(2-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N,2-diethyl-5-methyl-N-(2-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N,2-diethyl-5-methyl-N-(2-methylphenyl)pyrimidin-4-amine is CCc1nc(Cl)c(C)c(N(CC)c2ccccc2C)n1.
What is the InChIKey of 6-chloro-N,2-diethyl-5-methyl-N-(2-methylphenyl)pyrimidin-4-amine?
The InChIKey is BVNXWUJAOGIMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-5-14-18-15(17)12(4)16(19-14)20(6-2)13-10-8-7-9-11(13)3/h7-10H,5-6H2,1-4H3.
What are the key properties of 6-chloro-N,2-diethyl-5-methyl-N-(2-methylphenyl)pyrimidin-4-amine?
6-chloro-N,2-diethyl-5-methyl-N-(2-methylphenyl)pyrimidin-4-amine has a molecular weight of 289.81 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,2-diethyl-5-methyl-N-(2-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 80973600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).